(4,4-difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone

C11H19F2N3O — CID 121184662

IUPAC(4,4-difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C11H19F2N3O/c1-14-6-8-16(9-7-14)10(17)15-4-2-11(12,13)3-5-15/h2-9H2,1H3
InChIKeyPBQKJZFSVAGVOK-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.08
Rot. Bonds

About (4,4-difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone

(4,4-difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 121184662) has the molecular formula C11H19F2N3O and a molecular weight of 247.29 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID121184662
Molecular FormulaC11H19F2N3O
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name(4,4-difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C11H19F2N3O/c1-14-6-8-16(9-7-14)10(17)15-4-2-11(12,13)3-5-15/h2-9H2,1H3
InChIKeyPBQKJZFSVAGVOK-UHFFFAOYSA-N
XLogP1.08
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone (CID 121184662) is (4,4-difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)N2CCC(F)(F)CC2)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is PBQKJZFSVAGVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O/c1-14-6-8-16(9-7-14)10(17)15-4-2-11(12,13)3-5-15/h2-9H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 247.29 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 121184662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).